N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C11H12ClFN2S — CID 2423958

IUPACN-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1
InChIInChI=1S/C11H12ClFN2S/c1-11(2)6-16-10(15-11)14-7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyTUSRGLUIQAXQSV-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.77
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2423958) has the molecular formula C11H12ClFN2S and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2423958
Molecular FormulaC11H12ClFN2S
Molecular Weight258.75 g/mol
Exact Mass258.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1
InChIInChI=1S/C11H12ClFN2S/c1-11(2)6-16-10(15-11)14-7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyTUSRGLUIQAXQSV-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2423958) is N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is TUSRGLUIQAXQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2S/c1-11(2)6-16-10(15-11)14-7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 258.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2423958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).